N-(2-methoxy-5-methyl-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methoxy-5-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3C

InChI

InChI=1S/C22H28N2O4S/c1-16-8-9-21(28-3)20(14-16)23-22(25)18-10-12-24(13-11-18)29(26,27)15-19-7-5-4-6-17(19)2/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,25)